2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone

C22H30N4O — CID 119878564

IUPAC2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone
SMILESCN(CCN1CCN(C(=O)C(N)c2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C22H30N4O/c1-24(18-19-8-4-2-5-9-19)12-13-25-14-16-26(17-15-25)22(27)21(23)20-10-6-3-7-11-20/h2-11,21H,12-18,23H2,1H3
InChIKeyPUWVPSQOZGUHIF-UHFFFAOYSA-N
MW366.51 g/mol
LogP1.96
Rot. Bonds7

About 2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone

2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 119878564) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone
PubChem CID119878564
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone
SMILESCN(CCN1CCN(C(=O)C(N)c2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C22H30N4O/c1-24(18-19-8-4-2-5-9-19)12-13-25-14-16-26(17-15-25)22(27)21(23)20-10-6-3-7-11-20/h2-11,21H,12-18,23H2,1H3
InChIKeyPUWVPSQOZGUHIF-UHFFFAOYSA-N
XLogP1.96
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120800060
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone
CID 119878570
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
ethyl (2R)-2-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]propanoate
CID 95139916
(2S)-2-amino-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 104897534
(3-aminophenyl)-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119878601
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119878618
2-amino-2-phenyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 61174513
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 104897872

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone (CID 119878564) is 2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone is CN(CCN1CCN(C(=O)C(N)c2ccccc2)CC1)Cc1ccccc1.
What is the InChIKey of 2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is PUWVPSQOZGUHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-24(18-19-8-4-2-5-9-19)12-13-25-14-16-26(17-15-25)22(27)21(23)20-10-6-3-7-11-20/h2-11,21H,12-18,23H2,1H3.
What are the key properties of 2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone?
2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 366.51 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 119878564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).